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| A Computational Drug Designing from Active Product of Herbal Plant Ochna Squarrosa to Relieve Menstrual Complexities
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Source |
International Journal of Biometrics and Bioinformatics (IJBB) |
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Table of Contents |
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Complete Issue PDF(2.45MB) |
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Volume: 6 Issue: 2 |
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Pages: |
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Publication
Date: April 2012 |
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ISSN
(Online): 1985-2347 |
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Pages |
38 - 46 |
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Published
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16-04-2012 |
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Publisher |
CSC
Journals, Kuala Lumpur,
Malaysia |
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ADDITIONAL
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| Keywords Abstract References Cited by Related Articles Collaborative
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KEYWORDS: Molecular Docking, Ochna Squarrosa, Estrogen Receptor, Isoflavone |
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| Ochna squarrosa (Golden Champak), a Bangladeshi herbal plant known locally as Sheuri, has for long been used for treating menstrual complexities. Although in root decoction of the related species variants has been reported to contain active compound Ochnaflavone- a derivative of isoflavone- this chemical’s presence in O. squarrosa was far from confirmed. Furhtermore, the molecular mechanism of action of the chemical is yet to be identified. Here, we report the presence of Ochnaflavone in the plant. Moreover, our computational study reveals a plausible target protein where the active compound binds. This study confirms the basis of the traditional herbal practice and can be useful for further developing a synthetic drug. This in return will shift the current use of Ochnaflavone as ‘observational medicine’ to ‘evidence based medicine’. |
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| 1 |
Li X, Huang J, Yi P, Bambara RA, Hilf R, Muyan M (2004). Single-chain estrogen receptors (ERs) reveal that the ERalpha/beta heterodimer emulates functions of the ERalpha dimer in genomic estrogen signaling pathways. Mol. Cell. Biol. 24 (17): 7681–94. doi:10.1128/MCB.24.17.7681-7694.2004. PMC 506997. PMID 15314175.
|
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|
| 2 |
Ascenzi P, Bocedi A, Marino M (August 2006). Structure-function relationship of estrogen receptor alpha and beta: impact on human health. Mol Aspects Med 27 (4): 299–402. doi:10.1016/j.mam.2006.07.001. PMID 16914190.
|
|
|
| 3 |
Bourguet W, Germain P, Gronemeyer H (October 2000). Nuclear receptor ligand-binding domains: three-dimensional structures, molecular interactions and pharmacological implications. Trends Pharmacol Sci 21 (10): 381–8. doi:10.1016/S0165-6147(00)01548-0. PMID 11050318.
|
|
|
| 4 |
Kaufman PB, Duke JA, Brielmann H, Boik J, Hoyt JE (1997). A comparative survey of leguminous plants as sources of the isoflavones, genistein and daidzein: implications for human nutrition and health. J Altern Complement Med 3 (1): 7–12. doi:10.1089/acm.1997.3.7. PMID 9395689.
|
|
|
| 5 |
Heber, D (2008). Plant Foods and Phytochemicals in human health. In Berdanier, C.D, Dwyer, J.T., Feldman, E.B.. CRC Press. pp. 176–181
|
|
|
| 6 |
Mashiach E, Schneidman-Duhovny D, Peri A, Shavit Y, Nussinov R, Wolfson HJ. An integrated suite of fast docking algorithms. Proteins. 2010 Nov 15;78(15):3197-204.
|
|
|
| 7 |
Schneidman-Duhovny D, Inbar Y, Polak V, Shatsky M, Halperin I, Benyamini H, Barzilai A, Dror O, Haspel N, Nussinov R, Wolfson HJ. Taking geometry to its edge: fast unbound rigid (and hinge-bent) docking. Proteins. 2003 Jul 1; 52(1): 107-12.
|
|
|
| 8 |
Holger Gohlke, Manfred Hendlich, Gerhard Klebe (1999) Knowledge-based scoring function to predict protein-ligand interactions Journal of Molecular Biology 295 (2): 337-356
|
|
|
| 9 |
Kennelly EJ, Baggett S, Nuntanakorn P, Ososki AL, Mori SA, Duke J, Coleton M, Kronenberg F. (2002) Analysis of thirteen populations of black cohosh for formononetin. Phytomedicine; 2002, 9:461–467.
|
|
|
| 10 |
S. F. Dyke, W. D. Ollis, M. Sainsbury (1961) Synthesis of Isoflavones. Part III.1 Caviunin, Journal of Organic Chemistry 26, 2453
|
|
|
| 11 |
J.B. Harborne (1967) Comparative biochemistry of the flavonoids-VI: Flavonoid patterns in the bignoniaceae and the gesneriaceae, Phytochemistry 6 (12)
|
|
|
| 12 |
J.B. Harborne (1965) Plant polyphenols—XIV: Characterization of flavonoid glycosides by acidic and enzymic hydrolyses Phytochemistry 4 (1):107-120
|
|
|
| 13 |
Paul S. Cooke, David L. Buchanan, Dennis B. Lubahn and Gerald R. Cunha (1998). Mechanism of Estrogen Action: Lessons from the Estrogen Receptor-? Knockout Mouse; Biology of Reproduction September 1, 1998 vol. 59 no. 3 470-475
|
|
|
| 14 |
Duhovny D NR, Wolfson HJ (2002): Efficient Unbound Docking of Rigid Molecules. In Gusfield et al., Ed. Proceedings of the 2'nd Workshop on Algorithms in Bioinformatics(WABI) Rome, Italy, Lecture Notes in Computer Science.
|
|
|
| 15 |
Schneidman-Duhovny D, Inbar Y, Nussinov R, Wolfson HJ. PatchDock and SymmDock: servers for rigid and symmetric docking. Nucl. Acids. Res. 33: W363-367, 2005.
|
|
|
| 16 |
Zhang C, Vasmatzis G, Cornette JL, DeLisi C. (1997) Determination of atomic desolvation energies from the structures of crystallized proteins. J Mol Biol. 267(3):707-26
|
|
|
| 17 |
Renmin Liu AL, Ailing Sun, Jichun Cui, Lingyi Konga, (2004): Preparative isolation and purification of three flavonoids from the Chinesemedicinal plant Epimedium koreamum Nakai by high-speed counter-current chromatography. Journal of Chromatography A
|
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| 18 |
Vissandjee B, Barlow R, Fraser DW. Utilization of health services among rural women in Gujarat India. Public Health 1997; 111(3):135–148.
|
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| 19 |
I. L. Finar. Organic Chemistry, Volume 2: Stereochemistry and The Chemistry Natural Products, 5th edition; Longmans Green & Co.
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| Aubhishek Zaman : Colleagues
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| Md. Arafat Hossain Khan : Colleagues
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